SCHEMBL4923328

SCHEMBL4923328

Cc1ccc2oc(=O)ccc2c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
MCL1 Q07820 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
PIM1 P11309 1/20 0.44
DYRK1A Q13627 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP2A6 P11509 1/20 0.39
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17263930 0.78 TSHR (0.64) ALDH1A1TSHRMCL1TDP1CYP3A4
SCHEMBL14264177 0.77 TDP1 (0.44) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL4928061 0.76 LMNA (0.37) ALDH1A1MCL1PIM1DYRK1APIM3
SCHEMBL30954677 0.74 CYP2A6 (0.46) ALDH1A1MCL1LMNACYP3A4MAOA
SCHEMBL8750135 0.74 CYP2A6 (0.46) ALDH1A1MCL1LMNACYP3A4MAOA
SCHEMBL4917929 0.74 LMNA (0.35) ALDH1A1MCL1TDP1MAPTLMNA
SCHEMBL4923112 0.74 HNF4A (0.39) ALDH1A1TSHRMCL1PIM1DYRK1A
SCHEMBL4918135 0.74 MAPT (0.51) ALDH1A1MCL1TDP1PIM1DYRK1A
SCHEMBL11509771 0.72 MAOB (0.54) ALDH1A1TSHRMAPTLMNAMAPK1
SCHEMBL8247621 0.72 CYP2A6 (0.43) ALDH1A1MCL1LMNACYP3A4MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 US disclosed
WO-2006026368-A2 DEVELOPMENT OF FLUOROGENIC SUBSTRATES FOR MONOAMINE OXIDASES (MAO-A AND MAO-B) THE TRUSTEES OF COLLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2006-03-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) MAOA, MAOB, COMT ALDH1A1 181/4885TSHR 1555/4885MCL1 1520/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.